2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C17H18FN5O2S — CID 164573807

IUPAC2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1F
InChIInChI=1S/C17H18FN5O2S/c1-10-6-13(17-12(16(10)18)8-19-21-17)26-23(3)9-14(24)20-11-4-5-22(2)15(25)7-11/h4-8H,9H2,1-3H3,(H,19,21)(H,20,24)
InChIKeyBMUWFKHKJSMBLA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573807) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573807
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC Name2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1F
InChIInChI=1S/C17H18FN5O2S/c1-10-6-13(17-12(16(10)18)8-19-21-17)26-23(3)9-14(24)20-11-4-5-22(2)15(25)7-11/h4-8H,9H2,1-3H3,(H,19,21)(H,20,24)
InChIKeyBMUWFKHKJSMBLA-UHFFFAOYSA-N
XLogP2.29
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
CID 155387744
US20240132480, Example 43
CID 164573492
US20240132480, Example 152
CID 164573518
2-[[5-(difluoromethyl)-3-fluoro-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 164573816
2-[(5-fluoro-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395535
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395558
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395588
2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573449
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573558
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]amino]sulfanyl-2H-indazole-5-carboxamide
CID 164573610
2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573683
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
CID 164573859

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573807) is 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is Cc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1F.
What is the InChIKey of 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is BMUWFKHKJSMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-10-6-13(17-12(16(10)18)8-19-21-17)26-23(3)9-14(24)20-11-4-5-22(2)15(25)7-11/h4-8H,9H2,1-3H3,(H,19,21)(H,20,24).
What are the key properties of 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).